8020-4966 Screening compound: 2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8020-4966 Screening compound: 2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8020-4966 Screening compound: 2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4966
2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8020-4966

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1ccc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c2cnccc2)s1

InChI

InChI=1S/C20H18N4OS/c1-12-7-8-17(26-12)18-14(10-21)20(22)24(13-4-3-9-23-11-13)15-5-2-6-16(25)19(15)18/h3-4,7-9,11,18H,2,5-6,22H2,1H3/t18-/m0/s1

InChI Key

IOKUODUMUGHXGJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03872352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-2.23

Polar Surface Area

62.913

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-4966 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-4966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4966?
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What is the minimum amount of 8020-4966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4966
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8020-4966 available by request